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autodock
Molecular Docking ToolsSEEKR
SEEKR is a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination of molecular dynamics, Brownian dynamics, and milestoning theory.opaltoolkit
Wrapping scientific applications as Web servicesnamd
NAMD - a parallel, object-oriented molecular dynamics codecuda
Cuda Rollvmd
Visual Molecular Dynamics (UIUC)txbr-source
Transform based Tracking, Bundle adjustment and Reconstruction (TxBR)workflows
Kepler workflows created by NBCRpdb2pqr
Poisson-Boltzmann electrostatics calculationsbddocker
Docker image for PDB2PQR, APBS and BrownDye.BrownDyeTools
BrownDye Pymol pluginkepler
Kepler rollamberGaMD
GaMD patched ambermyrinet-mx
Myrinet drivers and software for Myricom switchLove Open Source and this site? Check out how you can help us